4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2,6-dimethoxyphenol

C16H16F3NO4 — CID 171246193

IUPAC4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2,6-dimethoxyphenol
SMILESCOc1cc([C@H](N)c2ccc(OC(F)(F)F)cc2)cc(OC)c1O
InChIInChI=1S/C16H16F3NO4/c1-22-12-7-10(8-13(23-2)15(12)21)14(20)9-3-5-11(6-4-9)24-16(17,18)19/h3-8,14,21H,20H2,1-2H3/t14-/m1/s1
InChIKeyVKRHDPWVDOFLPY-CQSZACIVSA-N
MW343.30 g/mol
LogP3.36
Rot. Bonds5

About 4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2,6-dimethoxyphenol

4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2,6-dimethoxyphenol (PubChem CID 171246193) has the molecular formula C16H16F3NO4 and a molecular weight of 343.30 g/mol. Its IUPAC name is 4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2,6-dimethoxyphenol.

Molecular Properties

Compound Name4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2,6-dimethoxyphenol
PubChem CID171246193
Molecular FormulaC16H16F3NO4
Molecular Weight343.30 g/mol
Exact Mass343.10
IUPAC Name4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2,6-dimethoxyphenol
SMILESCOc1cc([C@H](N)c2ccc(OC(F)(F)F)cc2)cc(OC)c1O
InChIInChI=1S/C16H16F3NO4/c1-22-12-7-10(8-13(23-2)15(12)21)14(20)9-3-5-11(6-4-9)24-16(17,18)19/h3-8,14,21H,20H2,1-2H3/t14-/m1/s1
InChIKeyVKRHDPWVDOFLPY-CQSZACIVSA-N
XLogP3.36
TPSA73.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.30
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(S)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2-bromo-6-methoxyphenol
CID 171241821
(R)-(3,4-dimethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171246015
4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2,6-dimethylphenol;hydrochloride
CID 171248077
5-[(S)-amino-[4-(trifluoromethoxy)phenyl]methyl]benzene-1,3-diol;hydrochloride
CID 171239519
2-[(S)-amino-[4-(trifluoromethoxy)phenyl]methyl]-3,5-dimethoxyphenol
CID 171242038
2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-3-methoxyphenol
CID 171251792
(R)-(3-bromo-4-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171248315
(S)-(6-methoxynaphthalen-2-yl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171239323
(S)-(2-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171239727
2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-5-methoxyphenol
CID 171246523
4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]benzene-1,2-diol
CID 171245554
(S)-(4-methoxy-3-phenylmethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171243977

Frequently Asked Questions

What is the IUPAC name of 4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2,6-dimethoxyphenol?
The IUPAC name of 4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2,6-dimethoxyphenol (CID 171246193) is 4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2,6-dimethoxyphenol.
What is the SMILES notation for 4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2,6-dimethoxyphenol?
The canonical SMILES for 4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2,6-dimethoxyphenol is COc1cc([C@H](N)c2ccc(OC(F)(F)F)cc2)cc(OC)c1O.
What is the InChIKey of 4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2,6-dimethoxyphenol?
The InChIKey is VKRHDPWVDOFLPY-CQSZACIVSA-N. The full InChI is InChI=1S/C16H16F3NO4/c1-22-12-7-10(8-13(23-2)15(12)21)14(20)9-3-5-11(6-4-9)24-16(17,18)19/h3-8,14,21H,20H2,1-2H3/t14-/m1/s1.
What are the key properties of 4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2,6-dimethoxyphenol?
4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2,6-dimethoxyphenol has a molecular weight of 343.30 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2,6-dimethoxyphenol is sourced from PubChem (CID 171246193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).